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Title: Materials Data on CaMnGeO4 by Materials Project

Abstract

CaMnGeO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with four equivalent MnO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent MnO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are three shorter (2.33 Å) and three longer (2.46 Å) Ca–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent CaO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are a spread of Mn–O bond distances ranging from 2.22–2.29 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–63°. There are a spread of Ge–O bond distancesmore » ranging from 1.76–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, two equivalent Mn2+, and one Ge4+ atom to form distorted corner-sharing OCaMn2Ge tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Ca2+, two equivalent Mn2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+, one Mn2+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1214074
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaMnGeO4; Ca-Ge-Mn-O
OSTI Identifier:
1685870
DOI:
https://doi.org/10.17188/1685870

Citation Formats

The Materials Project. Materials Data on CaMnGeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685870.
The Materials Project. Materials Data on CaMnGeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1685870
The Materials Project. 2020. "Materials Data on CaMnGeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1685870. https://www.osti.gov/servlets/purl/1685870. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685870,
title = {Materials Data on CaMnGeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMnGeO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with four equivalent MnO6 octahedra, corners with four equivalent GeO4 tetrahedra, edges with two equivalent MnO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are three shorter (2.33 Å) and three longer (2.46 Å) Ca–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent CaO6 octahedra, corners with two equivalent GeO4 tetrahedra, edges with two equivalent CaO6 octahedra, edges with two equivalent MnO6 octahedra, and edges with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–62°. There are a spread of Mn–O bond distances ranging from 2.22–2.29 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent MnO6 octahedra, corners with four equivalent CaO6 octahedra, an edgeedge with one CaO6 octahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–63°. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ca2+, two equivalent Mn2+, and one Ge4+ atom to form distorted corner-sharing OCaMn2Ge tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Ca2+, two equivalent Mn2+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+, one Mn2+, and one Ge4+ atom.},
doi = {10.17188/1685870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}